SCHEMBL831306

SCHEMBL831306

O=C(NS(=O)(=O)c1cccnc1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.40
KMT2A Q03164 3/20 0.39
CYP2C8 P10632 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.36
PCK1 P35558 1/20 0.36
ECE1 P42892 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
S1PR1 P21453 1/20 0.36
USP2 O75604 1/20 0.36
USP8 P40818 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL831676 0.88 PPARG (0.45) PPARGKMT2ACYP2C8LMNANPSR1
SCHEMBL832430 0.88 PPARG (0.45) PPARGKMT2ACYP2C8LMNANPSR1
SCHEMBL831618 0.88 KMT2A (0.41) PPARGKMT2ACYP2C8S1PR1GRIN1
SCHEMBL831215 0.86 PPARG (0.39) PPARGKMT2ACYP2C8GRIN1GRIN2B
SCHEMBL831415 0.86 PPARG (0.46) PPARGKMT2ACYP2C8ECE1GRIN1
SCHEMBL832610 0.85 PPARG (0.45) PPARGCYP2C8
SCHEMBL862442 0.85 PPARG (0.45) PPARGKMT2ACYP2C8ECE1LMNA
SCHEMBL831858 0.85 PPARG (0.46) PPARGCYP2C8
SCHEMBL830972 0.85 CYP2C8 (0.42) PPARGKMT2ACYP2C8ECE1GRIN1
SCHEMBL831389 0.85 PPARG (0.40) PPARGKMT2ACYP2C8ECE1GRIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PPARG 4093/4885KMT2A 321/4885CYP2C8 847/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.